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Associate Computational Chemistry Jobs in Virginia

Virginia Tech

Postdoctoral Associate

Blacksburg, VA · On-site

... computational chemistry, machine learning, and agentic science. Qualifications : Required : • Ph.D. in Chemistry, Chemical Engineering, Materials Science, Physics, Computer Science, or a related ...

Virginia Tech

Postdoctoral Associate

Blacksburg, VA

Postdoctoral Associate Apply now Back to search results Job no: 536321 Work type: Research Faculty ... computational chemistry, machine learning, and agentic science. This full-time appointment is ...

Virginia Tech

Postdoctoral Associate

Blacksburg, VA · On-site

Additional expertise in computational methods would be useful but is not necessary. The ... D. in Theoretical Physics, Theoretical Quantum Chemistry, or a closely related field. PhD must be ...

Virginia Tech

Postdoctoral Associate

Blacksburg, VA · On-site

They are seeking multiple postdoctoral associates in Artificial Intelligence focused on ... Computational Biology, Bioinformatics, Statistics, Mathematics, Biophysics, Physics, Chemistry ...

Virginia Tech

Postdoctoral Associate

Blacksburg, VA

D. in Chemical Engineering, Chemistry, Materials Science, Physics, or a closely related field. The ... or computational tools for data processing, such as Python, MATLAB, or equivalent. - Prior ...

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All JobsAssociate Computational Chemistry JobsAssociate Computational Chemistry Jobs in Virginia

Associate Computational Chemistry information

What is an associate computational chemist?

Associate Computational Chemists are entry- to mid-level professionals who use computer simulations, modeling, and theoretical methods to study chemical systems and predict molecular behavior. They often work closely with laboratory chemists to design experiments, analyze data, and help develop new materials or pharmaceuticals. Their role typically involves using specialized software to perform quantum mechanics, molecular dynamics, or cheminformatics calculations, supporting research projects in academia, industry, or government. This position usually requires a strong background in chemistry, computer science, and mathematics, as well as experience with programming and scientific computing.

What are the key skills and qualifications needed to thrive as an associate computational chemist?

To thrive as an Associate Computational Chemist, you need a strong background in chemistry, molecular modeling, and data analysis, typically supported by a relevant degree such as a PhD or MSc in chemistry, biochemistry, or a related field. Familiarity with computational tools like Schrödinger, Gaussian, MOE, and programming languages such as Python or R is essential, along with experience in molecular dynamics and quantum chemistry software. Strong problem-solving abilities, attention to detail, and effective communication skills help you collaborate with multidisciplinary teams and clearly present complex findings. These skills and qualities are crucial for successfully driving drug discovery and research projects by translating computational insights into actionable experimental strategies.

What are some common challenges faced by associate computational chemists when collaborating with experimental teams?

Associate Computational Chemists often work closely with experimental chemists to validate predictions and design new compounds. One common challenge is effectively communicating complex computational results in a way that is actionable for experimental colleagues, especially when data may suggest unexpected outcomes. Additionally, aligning computational timelines with experimental priorities can require flexibility and proactive project management. Building strong interdisciplinary relationships and maintaining open communication channels are key to overcoming these challenges and driving successful project outcomes.

What is the difference between Associate Computational Chemistry vs Computational Chemist?

AspectAssociate Computational ChemistryComputational Chemist
Required CredentialsBachelor's or Master's in Chemistry, Chemistry-related field, or Computational ChemistryBachelor's, Master's, or Ph.D. in Chemistry, Computational Chemistry, or related field
Work EnvironmentResearch labs, pharmaceutical companies, academia, industryResearch labs, pharmaceutical companies, academia, industry
Employer & Industry UsageEntry-level, supporting senior staff, data analysis, modelingMid to senior level, leading projects, developing models, data interpretation

Associate Computational Chemistry roles are typically entry-level positions supporting senior computational chemists. They focus on data analysis, modeling, and supporting research projects. Computational Chemists usually hold more experience or advanced degrees, leading modeling efforts and developing new computational methods. Both roles are common in research-driven industries like pharmaceuticals and academia, but the associate role is more focused on learning and supporting, while the computational chemist takes on more independent responsibilities.

Is computational chemistry in demand?

Computational chemistry is in demand across industries such as pharmaceuticals, materials science, and chemical research, as companies seek to accelerate drug discovery and product development using modeling and simulation tools. The role of an Associate Computational Chemist often requires proficiency in software like Gaussian or Schrödinger and a strong background in chemistry and programming. Growing reliance on data analysis and high-performance computing continues to increase job opportunities in this field.

What can you do with an associate computational chemistry degree?

An associate computational chemistry degree prepares individuals for entry-level roles such as laboratory technician, research assistant, or computational analyst in pharmaceutical, chemical, or biotech industries. It provides foundational skills in chemistry, programming, and data analysis, often utilizing tools like molecular modeling software. These roles typically require strong analytical skills and familiarity with scientific software environments.

What are the most commonly searched types of Computational Chemistry jobs in Virginia?

The most popular types of Computational Chemistry jobs in Virginia are:

What are popular job titles related to Associate Computational Chemistry jobs in Virginia?

For Associate Computational Chemistry jobs in Virginia, the most frequently searched job titles are:

What job categories do people searching Associate Computational Chemistry jobs in Virginia look for?

The top searched job categories for Associate Computational Chemistry jobs in Virginia are:

What cities in Virginia are hiring for Associate Computational Chemistry jobs?

Cities in Virginia with the most Associate Computational Chemistry job openings:

Associate Computational Chemistry jobs near you
Infographic showing various Associate Computational Chemistry job openings in Virginia as of August 2026, with employment types broken down into 1% As Needed, 64% Full Time, 33% Part Time, 1% Temporary, and 1% Contract. Highlights an 96% Physical, 1% Hybrid, and 3% Remote job distribution.

Postdoctoral Research Associate in Computational Materials Science - Department of Chemical Engineer

Hampton University Faculty

Hampton, VA • On-site

$64K/yr

Full-time

Re-posted 3 days ago

Job description

Required Qualifications
  • Ph.D. in Chemical Engineering, Materials Science and Engineering, Physics, Chemistry, Computational Materials Science, or a closely related discipline.
  • Demonstrated expertise in molecular dynamics simulations using LAMMPS.
  • Experience performing density functional theory calculations using VASP.
  • Strong background in atomistic modeling of crystalline materials, minerals, ceramics, metals, or solid-state materials.
  • Experience working in Linux/Unix computing environments and high-performance computing (HPC) clusters.
  • Knowledge of artificial intelligence (AI), machine learning (ML), or data-driven materials science. Experience applying AI/ML methods to computational chemistry, molecular simulations, or materials informatics is highly desirable.
  • Programming experience in Python, Bash, or similar scripting languages.
  • Excellent written and oral communication skills, with a strong publication record.
Position Details
The appointment is for one year and is renewable based on satisfactory performance and the availability of external research funding. Competitive salary and benefits are available in accordance with university policies.
Salary based on qualifications $64,000
Application Materials
Applicants should submit a single pdf to Dr. Zhang at liqun.zhang@hamptonu.edu. The PDF file should include:
  1. A cover letter describing research interests and relevant experience.
  2. A current curriculum vitae, including a list of publications.
  3. Contact information for three professional references.
  4. Up to three representative publications.

Review of applications will begin immediately and continue until the position is filled.

Apply